2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane

C12H20FN3O — CID 142142758

IUPAC2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane
SMILESCC(C)C.NCC(=O)Nc1cc(F)ccc1N
InChIInChI=1S/C8H10FN3O.C4H10/c9-5-1-2-6(11)7(3-5)12-8(13)4-10;1-4(2)3/h1-3H,4,10-11H2,(H,12,13);4H,1-3H3
InChIKeyMBLBCWSXULFVSR-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.97
Rot. Bonds2

About 2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane

2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane (PubChem CID 142142758) has the molecular formula C12H20FN3O and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane.

Molecular Properties

Compound Name2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane
PubChem CID142142758
Molecular FormulaC12H20FN3O
Molecular Weight241.31 g/mol
Exact Mass241.16
IUPAC Name2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane
SMILESCC(C)C.NCC(=O)Nc1cc(F)ccc1N
InChIInChI=1S/C8H10FN3O.C4H10/c9-5-1-2-6(11)7(3-5)12-8(13)4-10;1-4(2)3/h1-3H,4,10-11H2,(H,12,13);4H,1-3H3
InChIKeyMBLBCWSXULFVSR-UHFFFAOYSA-N
XLogP1.97
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
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N-(2-amino-5-fluorophenyl)-2-methylpropanamide
CID 63257469
2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
CID 119856698
2-amino-N-(5-fluoro-2-propan-2-yloxyphenyl)acetamide
CID 83629960
N-(2-amino-5-fluorophenyl)-3,5,5-trimethylhexanamide
CID 55169548
N-(2-amino-5-fluorophenyl)-2-[butan-2-yl(ethyl)amino]acetamide
CID 43611926
N-(2-amino-5-fluorophenyl)-2-butan-2-ylsulfinylacetamide
CID 61301862
N-(2-amino-5-fluorophenyl)-2-(4-fluorophenoxy)acetamide
CID 43611984
N-(2-amino-5-fluorophenyl)-2-(2-propan-2-yloxyethoxy)acetamide
CID 43612006
5-(2-amino-5-fluoroanilino)-5-oxopentanoic acid
CID 110482697
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CID 104560278

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane?
The IUPAC name of 2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane (CID 142142758) is 2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane.
What is the SMILES notation for 2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane?
The canonical SMILES for 2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane is CC(C)C.NCC(=O)Nc1cc(F)ccc1N.
What is the InChIKey of 2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane?
The InChIKey is MBLBCWSXULFVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O.C4H10/c9-5-1-2-6(11)7(3-5)12-8(13)4-10;1-4(2)3/h1-3H,4,10-11H2,(H,12,13);4H,1-3H3.
What are the key properties of 2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane?
2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane has a molecular weight of 241.31 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane is sourced from PubChem (CID 142142758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).